SCHEMBL16852383

SCHEMBL16852383

CCCOc1ccc(-c2ccc(C)c(F)c2F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.42
PPARD Q03181 3/20 0.42
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
FFAR4 Q5NUL3 3/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16852369 0.93 CCNT1 (0.39) FFAR1PPARDCCNT1CDK9FFAR4
SCHEMBL16852381 0.92 THRA (0.42) FFAR1PPARDCCNT1CDK9ESR1
SCHEMBL16852375 0.91 THRA (0.44) PPARDESR1S1PR4S1PR1S1PR3
SCHEMBL16855902 0.90 CCNT1 (0.38) FFAR1PPARDCCNT1CDK9ESR1
SCHEMBL16852379 0.88 FAAH (0.41) FFAR1PPARDCCNT1CDK9FFAR4
SCHEMBL16855899 0.87 L3MBTL1 (0.43) FFAR1PPARDCCNT1CDK9ESR1
SCHEMBL16855895 0.87 L3MBTL1 (0.43) FFAR1PPARDCCNT1CDK9ESR1
SCHEMBL16855903 0.86 FPR2 (0.42) GAAFPR2CD274
SCHEMBL16855837 0.86 S1PR1 (0.40) FFAR1PPARDCCNT1CDK9S1PR4
SCHEMBL16855841 0.86 S1PR1 (0.40) FFAR1PPARDCCNT1CDK9S1PR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951274-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2018-04-24 US disclosed
US-20150175884-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-20150175884-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-25 US disclosed